Single-Molecule Nanocatalysis Reveals Facet-Dependent Catalytic Kinetics and Dynamics of Pallidium Nanoparticles

By studying the nanocatalysis of individual Pd nanoparticles (Pd NPs) in two shapes (cube with (100) facet and octahedron with (111) facet) with single-turnover resolution, the facet-dependent activities and dynamics were apparently observed. The results indicate that Pd octahedrons possess higher intrinsic catalytic activity per site than Pd nanocubes. Within a competitive Langmuir–Hinshelwood mechanism, the facet-dependent activities are derived at single-particle level, and the facet-dependent adsorption behaviors of substrate molecules on Pd(111) and Pd(100) are revealed and clarified by theoretical calculation. Furthermore, the facet-dependent restructuring behaviors of the particle surfaces were also observed. This study gives deeper insight into Pd-based nanocatalysts